N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide

C16H32N4O2 — CID 87073378

IUPACN-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide
SMILESCCCCNC(=O)C(C)C/N=N/CC(C)C(=O)NCCCC
InChIInChI=1S/C16H32N4O2/c1-5-7-9-17-15(21)13(3)11-19-20-12-14(4)16(22)18-10-8-6-2/h13-14H,5-12H2,1-4H3,(H,17,21)(H,18,22)/b20-19+
InChIKeyJZRVUEZSHOQVQM-FMQUCBEESA-N
MW312.46 g/mol
LogP2.54
Rot. Bonds12

About N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide

N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide (PubChem CID 87073378) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide
PubChem CID87073378
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC NameN-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide
SMILESCCCCNC(=O)C(C)C/N=N/CC(C)C(=O)NCCCC
InChIInChI=1S/C16H32N4O2/c1-5-7-9-17-15(21)13(3)11-19-20-12-14(4)16(22)18-10-8-6-2/h13-14H,5-12H2,1-4H3,(H,17,21)(H,18,22)/b20-19+
InChIKeyJZRVUEZSHOQVQM-FMQUCBEESA-N
XLogP2.54
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[[3-[[3-(2-carboxyethylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanoyl]amino]propanoic acid
CID 123649575
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
N-butyl-2-silylpropanamide
CID 123860399
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
2-methyl-N-nonyldecanamide
CID 141429494
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
N,N'-dibutyl-2-fluoropropanediamide
CID 141391063
N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748453
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
ethane;4-(heptylamino)-3-methyl-4-oxobutanoic acid
CID 145321345

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide?
The IUPAC name of N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide (CID 87073378) is N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide.
What is the SMILES notation for N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide?
The canonical SMILES for N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide is CCCCNC(=O)C(C)C/N=N/CC(C)C(=O)NCCCC.
What is the InChIKey of N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide?
The InChIKey is JZRVUEZSHOQVQM-FMQUCBEESA-N. The full InChI is InChI=1S/C16H32N4O2/c1-5-7-9-17-15(21)13(3)11-19-20-12-14(4)16(22)18-10-8-6-2/h13-14H,5-12H2,1-4H3,(H,17,21)(H,18,22)/b20-19+.
What are the key properties of N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide?
N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide has a molecular weight of 312.46 g/mol, XLogP of 2.54, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[3-(butylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanamide is sourced from PubChem (CID 87073378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).